[4-[(3-methoxyphenyl)carbamoylamino]-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[(3-methoxyphenyl)carbamoylamino]-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl] methanesulfonate Openeye Name: [3-[(4-benzyl-1-piperidyl)methyl]-4-[(3-methoxyphenyl)carbamoylamino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3-methoxyanilino)-oxomethyl]amino]-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[(4-benzylpiperidin-1-yl)methyl]-4-[(3-methoxyphenyl)carbamoylamino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(4-benzylpiperidino)methyl]-4-[(3-methoxyphenyl)carbamoylamino]phenyl] ester Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=C(C=C(C=C2)OS(=O)(=O)C)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=C(C=C(C=C2)OS(=O)(=O)C)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5S/c1-35-25-10-6-9-24(19-25)29-28(32)30-27-12-11-26(36-37(2,33)34)18-23(27)20-31-15-13-22(14-16-31)17-21-7-4-3-5-8-21/h3-12,18-19,22H,13-17,20H2,1-2H3,(H2,29,30,32)